3-tert-butyl-N-ethanoyl-N-[3-(1-propylpyridin-1-ium-2-yl)propyl]-4-tetradecoxy-benzamide iodide

Systemtic Name: 3-tert-butyl-N-ethanoyl-N-[3-(1-propylpyridin-1-ium-2-yl)propyl]-4-tetradecoxy-benzamide iodide Openeye Name: N-acetyl-3-tert-butyl-N-[3-(1-propylpyridin-1-ium-2-yl)propyl]-4-tetradecoxy-benzamide iodide CAS Name: N-acetyl-3-tert-butyl-N-[3-(1-propyl-2-pyridin-1-iumyl)propyl]-4-tetradecoxybenzamide iodide IUPAC Name: N-acetyl-3-tert-butyl-N-[3-(1-propylpyridin-1-ium-2-yl)propyl]-4-tetradecoxybenzamide iodide Traditional Name: N-acetyl-3-tert-butyl-4-myristyloxy-N-[3-(1-propylpyridin-1-ium-2-yl)propyl]benzamide iodide Formula: C38H61IN2O3 MolecularWeight: 720.80701

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)N(CCCC2=CC=CC=[N+]2CCC)C(=O)C)C(C)(C)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)N(CCCC2=CC=CC=[N+]2CCC)C(=O)C)C(C)(C)C.[I-]

InChI

InChI=1S/C38H61N2O3.HI/c1-7-9-10-11-12-13-14-15-16-17-18-21-30-43-36-26-25-33(31-35(36)38(4,5)6)37(42)40(32(3)41)29-22-24-34-23-19-20-28-39(34)27-8-2;/h19-20,23,25-26,28,31H,7-18,21-22,24,27,29-30H2,1-6H3;1H/q+1;/p-1